3-methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione;hydrochloride

C11H16ClN3O3 — CID 50988151

IUPAC3-methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione;hydrochloride
SMILESCC1=CC(=O)N(CC(=O)N2CCNCC2)C1=O.Cl
InChIInChI=1S/C11H15N3O3.ClH/c1-8-6-9(15)14(11(8)17)7-10(16)13-4-2-12-3-5-13;/h6,12H,2-5,7H2,1H3;1H
InChIKeyYZQWZAAELUTJTH-UHFFFAOYSA-N
MW273.72 g/mol
LogP-0.84
Rot. Bonds2

About 3-methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione;hydrochloride

3-methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione;hydrochloride (PubChem CID 50988151) has the molecular formula C11H16ClN3O3 and a molecular weight of 273.72 g/mol. Its IUPAC name is 3-methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione;hydrochloride.

Molecular Properties

Compound Name3-methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione;hydrochloride
PubChem CID50988151
Molecular FormulaC11H16ClN3O3
Molecular Weight273.72 g/mol
Exact Mass273.09
IUPAC Name3-methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione;hydrochloride
SMILESCC1=CC(=O)N(CC(=O)N2CCNCC2)C1=O.Cl
InChIInChI=1S/C11H15N3O3.ClH/c1-8-6-9(15)14(11(8)17)7-10(16)13-4-2-12-3-5-13;/h6,12H,2-5,7H2,1H3;1H
InChIKeyYZQWZAAELUTJTH-UHFFFAOYSA-N
XLogP-0.84
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2,3-dimethylbut-2-enoyl)piperazin-1-yl]-N-methylacetamide
CID 72102907
3-Methyl-1-piperazin-1-ylbut-2-en-1-one
CID 16769899
2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]prop-2-enamide
CID 18464090
N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide
CID 18464093
2-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]prop-2-enamide
CID 18464102
2-methyl-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 18464111
2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-ethylacetamide
CID 53677911
N-hexan-3-yl-2-(3-methyl-2,5-dioxopyrrol-1-yl)acetamide
CID 58898519
2-(3-methyl-2,5-dioxopyrrol-1-yl)-N-pentan-2-ylacetamide
CID 58898521
(E)-N-methyl-4-oxo-4-(4-propanoylpiperazin-1-yl)but-2-enamide
CID 59838968
N-ethyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide
CID 60975185
1-(2-Aminoethyl)-3-methylpyrrole-2,5-dione
CID 61348436

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione;hydrochloride?
The IUPAC name of 3-methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione;hydrochloride (CID 50988151) is 3-methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione;hydrochloride.
What is the SMILES notation for 3-methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione;hydrochloride?
The canonical SMILES for 3-methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione;hydrochloride is CC1=CC(=O)N(CC(=O)N2CCNCC2)C1=O.Cl.
What is the InChIKey of 3-methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione;hydrochloride?
The InChIKey is YZQWZAAELUTJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3.ClH/c1-8-6-9(15)14(11(8)17)7-10(16)13-4-2-12-3-5-13;/h6,12H,2-5,7H2,1H3;1H.
What are the key properties of 3-methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione;hydrochloride?
3-methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione;hydrochloride has a molecular weight of 273.72 g/mol, XLogP of -0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione;hydrochloride is sourced from PubChem (CID 50988151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).